Fig. 1: Screening of metallic SAs with large contributions to VBM of M1/TiO2 for photocatalytic NOCM. | Nature Communications

Fig. 1: Screening of metallic SAs with large contributions to VBM of M1/TiO2 for photocatalytic NOCM.

From: High-performance photocatalytic nonoxidative conversion of methane to ethane and hydrogen by heteroatoms-engineered TiO2

Fig. 1

a Schematic illustration for TiO2 (001)-based models—pristine TiO2 (top), Pd1/TiO2 (middle), and Pdn/TiO2 (bottom). b, c Total density of states (TDOS) of Pd1/TiO2 (b) and Pdn/TiO2 (c). The red line represents the contribution of metals to TDOS, in which Pd–O4 unit show the highest proportion in VBM (highlighted by blue arrow). d Pd 3d XPS spectra of Pd1/TiO2 and Pdn/TiO2 under light irradiation indicating charge accumulation. e The relationship of metal contribution in VBM and photocatalytic NOCM performance for various M1/TiO2 as well as Pdn/TiO2. Reaction condition: 0.1 MPa CH4, 3 h light irradiation. The error bars represent the standard deviation of the experiments.

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